26-Hydroxycholecalciferol
[CAS# 69556-15-6]

Identification

• Name: 26-Hydroxycholecalciferol
• Synonyms: (1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-6-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexan-1-Ol; (1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-6-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-1-Cyclohexanol; (1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(2R)-7-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexan-1-Ol
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 69556-15-6
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(CC[C@@H](O)C2)=C)CC[C@@H]3[C@@H](CCCC(CO)C)C)C
• InChI: 1S/C27H44O2/c1-19(18-28)7-5-8-21(3)25-14-15-26-22(9-6-16-27(25,26)4)11-12-23-17-24(29)13-10-20(23)2/h11-12,19,21,24-26,28-29H,2,5-10,13-18H2,1,3-4H3/b22-11+,23-12-/t19?,21-,24-,25-,26+,27-/m1/s1
• InChIKey: UZHJNFDLHNKRIM-MYMGIWEMSA-N

Properties

• Density: 1.016g/cm³ (Cal.)
• Boiling point: 533.324°C at 760 mmHg (Cal.)
• Flash point: 223.55°C (Cal.)